6-Methylpyridine-3-carbonitrile

HCID 281995CAS 3222-48-8

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Grundinformationen

Standard-SMILES: Cc1ccc(C#N)cn1
InChIKey: PBLOYQAQGYUPCM-UHFFFAOYSA-N
Summenformel: C7H6N2
Durchschnittliche Molmasse: 118,14 g/mol
Monoisotopische Masse: 118,05309819

Namen und Bezeichner

Bevorzugter Name: 6-Methylpyridine-3-carbonitrile
IUPAC: 6-methylpyridine-3-carbonitrile
Englischer Name: 5-CYANO-2-METHYLPYRIDINE
Summenformel: C7H6N2
Molmasse: 118.14

Namen und Synonyme

6-methylpyridine-3-carbonitrileRefChem:544039677-851-53222-48-85-CYANO-2-METHYLPYRIDINE5-Cyano-2-picoline6-MethylnicotinonitrileMFCD000380426-Methyl-nicotinonitrile6-Methyl-3-pyridinecarbonitrile3-PYRIDINECARBONITRILE, 6-METHYL-3-CYANO-6-METHYLPYRIDINE

Weitere Namen anzeigen

5-Cyan6-Methylnicotinitrile5-Cyano-2-methylpyridine >5-CYANO-2-METHYLPYRIDINE 99%6-Methylpyridin-3-carbonitrile

NSC1350422-methyl-5-cyanopyridine6-Methylnicotinonitrile #SCHEMBL135947SCHEMBL171975SCHEMBL451375SCHEMBL4756555SCHEMBL29794327

Datenbank-Bezeichner

CAS: 3222-48-8
PubChem CID: 281995
DTXSID: DTXSID60300134
EC Number: 677-851-5
Nikkaji: J1.650.470J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-85°C
Siedepunkt: 216 · 216-217°C
Dichte: 1.08 · 1.08±0.1 g/cm3(Predicted)
Flammpunkt: 216 · 216-217°C
storage temp.: 2 · 2-8°C
pka: 2.51 · 2.51±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
BRN: 111235 · 111235
InChI: 1S/C7H6N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,1H3
InChIKey: PBLOYQAQGYUPCM-UHFFFAOYSA-N
SMILES: Cc1ccc(cn1)C#N
CAS Datenbank: 3222 · 3222-48-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (88.9%)

Sicherheitsdaten

wgk: 1
ridadr: 3439
hs_code: 2933399990
risk_code: 22-41-25
hazard_code: T+,T
hazard_note: Harmful
safety_code: 26-36/37/39-45-39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1